Information card for entry 7226810

Structure parameters

• Formula: C36 H52 N Ni S8
• Calculated formula: C36 H52 N Ni S8
• Title of publication: Structure-dependent electronic transitions in a new type of -electron delocalized multi-sulfur bis(dithiolene) nickel complexes
• Authors of publication: Yu, Qin; Ge, Jing-Yuan; Lv, Zhong-Peng; Wang, Hai-Ying; Zuo, Jing-Lin
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.685 ± 0.002 Å
• b: 15.561 ± 0.003 Å
• c: 15.636 ± 0.003 Å
• α: 67.636 ± 0.004°
• β: 87.435 ± 0.004°
• γ: 74.465 ± 0.004°
• Cell volume: 2095.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No